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Information card for entry 4329114
Preview
| Coordinates | 4329114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 5-(1-methylhydrazinyl)-1H-tetrazole |
|---|---|
| Formula | C2 H6 N6 |
| Calculated formula | C2 H6 N6 |
| SMILES | c1([nH]nnn1)N(C)N |
| Title of publication | Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes |
| Authors of publication | Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 5305 - 5312 |
| a | 3.8713 ± 0.0018 Å |
| b | 12.77 ± 0.006 Å |
| c | 9.974 ± 0.005 Å |
| α | 90° |
| β | 93.397 ± 0.006° |
| γ | 90° |
| Cell volume | 492.2 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4329114.cif |
| 179394 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91. |
4329114.cif |
| 78154 | 2013-04-01 | cif/ Adding structures of 4329114 via cif-deposit CGI script. |
4329114.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.